methyl (2S)-2-[[(E)-5-(furan-2-yl)-3-oxidanylidene-pent-4-enyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[(E)-5-(furan-2-yl)-3-oxidanylidene-pent-4-enyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[(E)-5-(2-furyl)-3-oxo-pent-4-enyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(E)-5-(2-furanyl)-3-oxopent-4-enyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(E)-5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(E)-5-(2-furyl)-3-keto-pent-4-enyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NCCC(=O)C=CC1=CC=CO1

Isomeric SMILES

COC(=O)[C@H](CCSC)NCCC(=O)/C=C/C1=CC=CO1

InChI

InChI=1S/C15H21NO4S/c1-19-15(18)14(8-11-21-2)16-9-7-12(17)5-6-13-4-3-10-20-13/h3-6,10,14,16H,7-9,11H2,1-2H3/b6-5+/t14-/m0/s1